chempirical

1-Chloro-4-ethylbenzene

C8H9ClCAS 622-98-0140.61 g/mol

Open in Covalent MOL file
Cl
Aryl halide

Properties

Molecular formula
C8H9Cl
Molar mass
140.61 g/mol
Exact mass
140.0393 Da
Density
1.0463 g/mL (at 20 °C)
Melting point
−62.6 °C
Boiling point
184.4 °C
logP
2.90Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
622-98-0
SMILES
CCc1ccc(Cl)cc1
InChIKey
GPOFSFLJOIAMSA-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Cl/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names
  • Benzene, 1-chloro-4-ethyl-
  • p-Chloroethylbenzene
  • 4-Ethylchlorobenzene
  • 4-Chloro-1-ethylbenzene
  • 4-Chloroethylbenzene
  • 4-Ethylphenyl chloride
  • 1-Ethyl-4-chlorobenzene

Work with 1-Chloro-4-ethylbenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Diethylbenzene105-05-567 % similar 4-Ethylbenzyl chloride1467-05-657 % similar 1-Butyl-4-chlorobenzene15499-27-156 % similar 4-Chlorobenzyl chloride104-83-652 % similar 4-Ethyltoluene622-96-852 % similar Ethylbenzene100-41-450 % similar 4-Chloro-N-methylbenzenemethanamine104-11-050 % similar 4-Chlorobenzylamine104-86-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methylbenzyl chloride104-82-5 2-Methylbenzyl chloride552-45-4 1-Chloro-3,5-dimethylbenzene556-97-8 1-Chloro-2,3-dimethylbenzene608-23-1 4-Chloro-1,2-dimethylbenzene615-60-1 3-Methylbenzyl chloride620-19-9 Phenylethyl chloride622-24-2 1-Phenylethyl chloride672-65-1

Elsewhere

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